N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxy-propanamide

Systemtic Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxy-propanamide Openeye Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxy-propanamide CAS Name: N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenoxypropanamide IUPAC Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxypropanamide Traditional Name: N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenoxy-propionamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C21H24N2O3S2/c1-3-25-17-9-10-18-19(15-17)28-21(23(18)12-14-27-2)22-20(24)11-13-26-16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3